
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  214 ( 1657),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1517),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      58_B - 107_B       4.96    22.88
  LONGEST_CONTINUOUS_SEGMENT:    50      59_B - 108_B       4.87    22.94
  LONGEST_CONTINUOUS_SEGMENT:    50      60_B - 109_B       4.79    23.11
  LONGEST_CONTINUOUS_SEGMENT:    50      61_B - 110_B       4.82    23.11
  LONGEST_CONTINUOUS_SEGMENT:    50      62_B - 111_B       5.00    23.04
  LCS_AVERAGE:     16.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29     178_B - 206_B       1.63    31.65
  LCS_AVERAGE:      7.64

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25     178_B - 202_B       0.97    31.31
  LONGEST_CONTINUOUS_SEGMENT:    25     179_B - 203_B       0.92    31.38
  LCS_AVERAGE:      5.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     P     4_B     P     4_B      3    5   17      3    3    6    6    7    9   11   14   17   18   21   23   27   29   32   33   37   38   41   43 
LCS_GDT     D     5_B     D     5_B      3    5   17      3    3    6    6    7    9   11   14   17   18   21   23   27   29   32   53   54   56   62   64 
LCS_GDT     F     6_B     F     6_B      3    5   18      3    3    6    6    7   10   17   19   22   27   31   36   43   52   55   59   63   68   75   77 
LCS_GDT     T     7_B     T     7_B      3   11   21      3    4    7   10   13   20   24   26   32   37   43   48   54   58   63   68   71   76   77   79 
LCS_GDT     G     8_B     G     8_B      9   11   24      7    9    9   10   13   17   24   27   35   38   44   48   55   62   65   68   71   76   77   79 
LCS_GDT     A     9_B     A     9_B      9   11   24      7    9    9   10   11   12   16   21   26   36   41   48   54   58   63   68   71   76   77   79 
LCS_GDT     R    10_B     R    10_B      9   11   24      7    9    9   10   11   12   15   19   27   35   47   53   59   62   65   68   71   76   77   79 
LCS_GDT     E    11_B     E    11_B      9   11   24      7    9   13   16   18   22   27   36   41   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     R    12_B     R    12_B      9   11   24      7    9    9   15   17   22   25   33   40   43   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     F    13_B     F    13_B      9   11   24      7    9    9   10   11   12   14   18   36   41   49   53   59   62   65   68   71   76   77   79 
LCS_GDT     L    14_B     L    14_B      9   11   24      7   13   16   17   18   20   24   32   42   43   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    15_B     A    15_B      9   11   24      4    9    9   10   11   16   21   27   34   43   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     G    16_B     G    16_B      9   11   24      4    9   13   16   18   22   27   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     D    17_B     D    17_B      4   11   24      3    4    7   10   14   17   20   27   35   38   43   48   55   62   64   68   71   76   77   79 
LCS_GDT     V    18_B     V    18_B      4   11   24      3    4    4    7   10   12   16   20   26   31   37   43   50   55   56   61   68   72   76   78 
LCS_GDT     T    19_B     T    19_B      3    8   24      3    3    4    5    9   16   18   21   27   33   39   45   54   56   63   68   70   73   76   79 
LCS_GDT     I    20_B     I    20_B      4    8   24      3    4    6    8   10   12   16   24   29   36   42   48   55   62   64   68   71   76   77   79 
LCS_GDT     V    21_B     V    21_B      4    8   24      3    4    6    8   10   12   16   21   26   33   41   44   52   56   61   67   70   76   77   79 
LCS_GDT     L    22_B     L    22_B      5    8   24      3    5    6    8   10   12   16   20   26   36   42   48   54   58   64   68   70   76   77   79 
LCS_GDT     L    23_B     L    23_B      5    8   24      4    5    6    8    9   12   15   19   24   28   34   38   41   56   60   65   69   72   76   79 
LCS_GDT     I    24_B     I    24_B      5    8   24      4    5    5    8    8   11   13   19   21   25   31   36   41   45   47   52   59   62   72   74 
LCS_GDT     A    25_B     A    25_B      5    8   24      4    5    6    8    9   11   13   19   22   27   30   36   41   45   47   51   53   59   64   68 
LCS_GDT     E    26_B     E    26_B      5    8   24      3    5    6    8   10   11   13   16   21   23   30   34   36   45   51   54   57   59   64   69 
LCS_GDT     S    27_B     S    27_B      3    7   24      3    4    5    6    7   10   12   13   16   18   19   20   23   24   25   30   35   54   58   59 
LCS_GDT     H    28_B     H    28_B      3    7   24      3    4    5    6    7    9   10   14   16   19   20   21   23   26   33   35   37   39   42   47 
LCS_GDT     D    29_B     D    29_B      4    6   24      4    4    6    8   10   11   13   16   21   23   28   31   33   40   41   44   48   52   55   60 
LCS_GDT     A    30_B     A    30_B      4    6   24      3    4    6    8   10   10   12   16   22   23   29   33   37   40   41   44   46   52   54   60 
LCS_GDT     P    31_B     P    31_B      4    6   24      3    4    5    8   10   12   16   21   25   29   30   33   37   39   41   44   48   52   54   61 
LCS_GDT     Y    32_B     Y    32_B      4    6   24      3    4    6    8   10   12   16   21   25   29   30   31   34   37   41   43   48   54   59   65 
LCS_GDT     R    33_B     R    33_B      4    7   23      3    3    5    6    7    9   10   13   16   17   24   28   32   37   38   40   43   48   53   59 
LCS_GDT     L    34_B     L    34_B      4    7   23      3    3    5    7    7    8    9   13   14   15   17   22   25   28   36   40   43   47   51   58 
LCS_GDT     A    35_B     A    35_B      3    7   20      3    3    5    7    7    8    9   10   12   14   17   20   25   27   34   39   43   47   50   53 
LCS_GDT     N    36_B     N    36_B      3    7   19      3    3    4    6    7    8    9   13   14   14   17   20   24   26   30   32   39   44   46   49 
LCS_GDT     P    37_B     P    37_B      3    7   25      3    3    5    7    7    9   10   13   14   15   17   21   24   27   30   32   34   35   46   49 
LCS_GDT     E    38_B     E    38_B      6    7   25      3    5    6    7    7    8   10   13   14   15   17   21   24   27   30   32   33   35   38   42 
LCS_GDT     D    39_B     D    39_B      6    7   27      3    4    6    7    7    8    9   14   19   20   22   23   24   27   30   32   33   35   38   42 
LCS_GDT     P    40_B     P    40_B      6    6   27      2    5    6    6    6    7   13   16   19   20   22   23   25   27   30   32   33   35   38   42 
LCS_GDT     E    41_B     E    41_B      6   14   27      3    5    6    7    8   13   15   16   18   20   21   23   25   26   27   29   31   33   36   42 
LCS_GDT     A    42_B     A    42_B     13   14   27      4    5   12   13   13   13   15   16   17   19   21   23   25   26   28   30   32   34   36   39 
LCS_GDT     D    43_B     D    43_B     13   14   27      4   11   12   13   13   13   15   16   19   20   22   23   25   27   30   32   33   35   36   42 
LCS_GDT     L    44_B     L    44_B     13   14   27      4   11   12   13   13   13   15   16   19   20   22   23   25   27   30   32   33   35   37   42 
LCS_GDT     S    45_B     S    45_B     13   14   27      6   11   12   13   13   13   15   16   19   20   22   23   25   27   30   32   34   35   37   42 
LCS_GDT     D    46_B     D    46_B     13   14   27      6   11   12   13   13   13   15   16   19   20   22   23   25   26   30   32   34   39   42   45 
LCS_GDT     E    47_B     E    47_B     13   14   27      7   11   12   13   13   13   15   16   19   20   22   23   25   26   30   34   39   47   50   53 
LCS_GDT     Q    48_B     Q    48_B     13   14   27      7   11   12   13   13   13   15   16   19   20   22   23   25   27   30   32   34   39   42   48 
LCS_GDT     L    49_B     L    49_B     13   14   27      7   11   12   13   13   13   15   16   19   20   22   23   25   27   30   32   34   39   42   48 
LCS_GDT     E    50_B     E    50_B     13   14   27      7   11   12   13   13   13   15   16   19   20   22   23   25   27   32   37   41   47   50   53 
LCS_GDT     R    51_B     R    51_B     13   14   27      7   11   12   13   13   13   15   16   19   20   22   23   26   30   35   39   43   47   52   58 
LCS_GDT     A    52_B     A    52_B     13   14   27      7   11   12   13   13   13   15   16   19   20   22   23   25   30   35   36   41   47   52   58 
LCS_GDT     L    53_B     L    53_B     13   14   27      7   11   12   13   13   13   15   16   19   20   23   24   26   33   38   40   43   47   52   58 
LCS_GDT     A    54_B     A    54_B     13   14   27      3    8   11   13   13   13   15   17   25   29   30   31   34   37   39   42   44   54   59   65 
LCS_GDT     A    55_B     A    55_B      8   10   27      6    8    8    8   10   12   16   21   25   29   30   33   37   41   42   44   50   57   63   72 
LCS_GDT     Y    56_B     Y    56_B      8   10   27      6    8    8    8   10   11   16   21   25   29   30   33   37   39   41   44   48   52   56   60 
LCS_GDT     L    57_B     L    57_B      8   10   42      6    8    8    9   12   13   16   21   24   29   30   33   38   43   46   48   51   57   60   65 
LCS_GDT     T    58_B     T    58_B      8   10   50      6    8    8    8   12   13   16   21   26   29   34   38   41   56   60   66   70   76   77   79 
LCS_GDT     L    59_B     L    59_B      8   10   50      6    8    8    8   10   12   16   21   26   29   33   40   46   56   60   66   70   76   77   79 
LCS_GDT     V    60_B     V    60_B      8   10   50      6    8    8    8   10   13   16   21   25   29   30   36   41   45   51   56   61   66   74   78 
LCS_GDT     E    61_B     E    61_B      8   10   50      3    8    8    8   10   12   16   20   26   30   37   40   50   56   60   66   70   76   77   79 
LCS_GDT     T    62_B     T    62_B      8   18   50      3    8    8    9   13   21   27   35   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     L    63_B     L    63_B      4   18   50      3    4    5   12   17   22   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     F    64_B     F    64_B     16   19   50     15   15   16   19   20   24   29   34   39   43   47   54   59   62   65   68   71   76   77   79 
LCS_GDT     P    65_B     P    65_B     16   19   50     15   15   16   19   20   24   29   34   39   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     E    66_B     E    66_B     16   19   50     15   15   16   19   22   29   30   34   39   43   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     L    67_B     L    67_B     16   19   50     15   15   16   19   20   24   30   34   39   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     Y    68_B     Y    68_B     16   19   50     15   15   16   23   28   29   30   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    69_B     A    69_B     16   19   50     15   15   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     E    70_B     E    70_B     16   19   50     15   15   16   19   21   25   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     M    71_B     M    71_B     16   19   50     15   15   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     K    72_B     K    72_B     16   19   50     15   15   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    73_B     A    73_B     16   19   50     15   15   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    74_B     A    74_B     16   19   50     15   15   16   19   20   24   29   34   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     L    75_B     L    75_B     16   19   50     15   15   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    76_B     A    76_B     16   19   50     15   15   16   19   20   24   29   35   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    77_B     A    77_B     16   19   50     15   15   16   19   20   24   29   34   40   43   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    78_B     A    78_B     16   19   50     15   15   16   19   20   24   29   34   39   42   49   54   59   62   65   68   71   76   77   79 
LCS_GDT     K    79_B     K    79_B     16   19   50      4    4   16   17   20   24   28   34   39   42   46   54   59   62   65   68   71   76   77   79 
LCS_GDT     T    80_B     T    80_B      4   19   50      4    4    7   16   19   24   28   32   36   42   43   49   57   62   65   67   71   76   77   79 
LCS_GDT     P    81_B     P    81_B      4   19   50      4    4    4    6    8   10   15   23   28   31   37   45   52   57   62   66   70   72   74   79 
LCS_GDT     E    82_B     E    82_B      3   19   50      3    5   11   16   19   23   28   32   39   42   47   52   59   62   65   67   71   76   77   79 
LCS_GDT     E    83_B     E    83_B     15   16   50      7   12   16   17   18   22   28   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     K    84_B     K    84_B     15   16   50      7   12   16   17   18   22   28   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     I    85_B     I    85_B     15   16   50      7   13   16   17   19   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    86_B     A    86_B     15   16   50      8   13   16   17   19   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     V    87_B     V    87_B     15   16   50      8   13   16   17   19   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     F    88_B     F    88_B     15   16   50      8   13   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     R    89_B     R    89_B     15   16   50      8   13   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     E    90_B     E    90_B     15   16   50      7   12   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     Y    91_B     Y    91_B     15   16   50      7   13   16   17   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     N    92_B     N    92_B     15   16   50      5   13   16   19   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    93_B     A    93_B     15   16   50      8   13   16   17   20   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     R    94_B     R    94_B     15   16   50      8   13   16   17   19   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     F    95_B     F    95_B     15   16   50      8   13   16   17   19   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     L    96_B     L    96_B     15   16   50      8   13   16   17   19   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A    97_B     A    97_B     15   16   50      8   13   16   17   19   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     E    98_B     E    98_B      6   16   50      2    5    9   16   18   24   29   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     F    99_B     F    99_B     13   14   50      7   13   14   20   28   34   39   41   42   43   46   53   58   62   65   68   71   76   77   79 
LCS_GDT     D   100_B     D   100_B     13   14   50      8   13   14   20   28   34   39   41   42   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A   101_B     A   101_B     13   14   50      9   13   14   19   28   34   39   41   42   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     L   102_B     L   102_B     13   14   50      9   13   14   19   28   34   39   41   42   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     I   103_B     I   103_B     13   14   50      9   13   14   20   28   34   39   41   42   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     D   104_B     D   104_B     13   14   50      9   13   14   20   28   34   39   41   42   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     Q   105_B     Q   105_B     13   14   50      9   13   14   20   28   34   39   41   42   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A   106_B     A   106_B     13   14   50      9   13   14   20   28   34   39   41   42   43   47   53   59   62   65   68   71   76   77   79 
LCS_GDT     F   107_B     F   107_B     13   14   50      8   13   14   19   28   34   39   41   42   43   46   47   54   61   65   67   71   76   77   79 
LCS_GDT     A   108_B     A   108_B     13   14   50      9   13   14   20   28   34   39   41   42   43   46   48   53   57   61   66   67   73   77   79 
LCS_GDT     R   109_B     R   109_B     13   14   50      9   13   14   20   28   34   39   41   42   43   46   47   49   52   59   63   67   69   71   75 
LCS_GDT     L   110_B     L   110_B     13   14   50      9   13   14   20   28   34   39   41   42   43   46   47   49   52   54   56   61   66   69   72 
LCS_GDT     K   111_B     K   111_B     13   14   50      7   13   14   19   28   34   39   41   42   43   46   47   49   52   54   56   57   66   68   72 
LCS_GDT     A   112_B     A   112_B      3   14   22      3    3    3    9   15   18   23   26   30   32   36   44   46   52   54   56   63   66   68   72 
LCS_GDT     D   113_B     D   113_B      3    5   22      3    3    3    7   11   11   16   21   23   24   36   42   46   55   59   63   64   66   71   75 
LCS_GDT     S   114_B     S   114_B      3    5   22      3    3    3    5    7    9   11   14   27   35   40   48   52   57   64   66   71   76   77   79 
LCS_GDT     L   115_B     L   115_B      4    6   22      3    3    4    5    6    9   21   25   32   42   49   54   59   62   65   68   71   76   77   79 
LCS_GDT     T   116_B     T   116_B      4    7   22      3    3    4    5    7    8   23   33   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     L   117_B     L   117_B      5    7   22      3    4    5    6    7   14   16   36   39   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     K   118_B     K   118_B      5    7   22      3    4    5    6    6    7   15   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     I   119_B     I   119_B      5    7   22      3    4    5    6    6   14   16   36   39   45   50   54   59   62   65   67   71   76   77   79 
LCS_GDT     H   120_B     H   120_B      5    7   14      3    4    5    6    6    7    7   24   32   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     L   121_B     L   121_B      5    7   14      3    4    5    6    6    7    7   32   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     S   122_B     S   122_B      3    7   14      3    3    4    6    6    7    8    9   11   11   12   28   32   34   37   65   71   74   77   79 
LCS_GDT     Q   123_B     Q   123_B      4    6   14      2    3    4    5    6    6    8    9   11   11   12   12   13   13   15   19   21   22   24   27 
LCS_GDT     G   124_B     G   124_B      4    6   14      3    3    4    5    6    6    8    8   11   11   12   12   13   13   14   19   21   22   24   27 
LCS_GDT     K   125_B     K   125_B      4    6   14      3    3    4    5    6    6    8    8   11   11   12   14   14   14   15   18   21   28   33   34 
LCS_GDT     G   126_B     G   126_B      4    6   14      3    3    4    5    6    6    8    9   11   15   18   19   21   23   24   31   32   34   36   41 
LCS_GDT     S   127_B     S   127_B      4    6   14      3    3    4    5    6    6   10   12   16   18   19   20   24   27   30   32   33   35   36   41 
LCS_GDT     Y   128_B     Y   128_B      3    6   14      3    3    4    5    6    6    8   12   15   18   19   20   24   27   30   32   37   39   46   49 
LCS_GDT     E   129_B     E   129_B      3    5   14      2    3    4    4    5    6    8   12   15   20   23   25   26   28   35   42   55   67   69   73 
LCS_GDT     I   130_B     I   130_B      3    5   14      3    3    4    4    6    8   11   15   18   19   23   25   27   30   51   57   62   66   69   73 
LCS_GDT     I   131_B     I   131_B      4    5   36      3    4    4    4    5    9   15   17   18   20   23   27   28   45   53   58   62   66   69   73 
LCS_GDT     F   132_B     F   132_B      4    5   36      3    4    4    4    7    9   15   17   18   20   29   31   35   46   49   54   62   66   68   72 
LCS_GDT     P   133_B     P   133_B      4    5   36      3    4    4    4    7    8   11   15   24   31   32   34   38   43   50   54   57   60   66   72 
LCS_GDT     P   134_B     P   134_B      4    5   36      1    4    5    6    7    8   11   13   16   26   29   35   41   43   47   50   57   60   63   65 
LCS_GDT     E   135_B     E   135_B      3   13   36      3    4    4    6    6    8   13   14   16   30   32   37   49   52   54   56   57   60   63   65 
LCS_GDT     V   136_B     V   136_B      3   13   36      3    3    4   11   13   16   21   30   35   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     Q   137_B     Q   137_B      3   13   36      4   10   10   11   15   22   27   31   35   41   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     A   138_B     A   138_B      3   13   36      3   10   10   11   15   22   27   31   35   41   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     D   139_B     D   139_B      3   13   36      3    4    4   16   20   29   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     P   140_B     P   140_B      8   22   36      7   10   10   16   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     E   141_B     E   141_B      8   25   36      7   10   13   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     R   142_B     R   142_B      8   25   36      7   10   11   17   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     A   143_B     A   143_B      8   25   36      7   10   14   19   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     A   144_B     A   144_B      8   25   36      7   10   14   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     A   145_B     A   145_B      8   25   36      7   10   17   20   21   27   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     I   146_B     I   146_B      8   25   36      6   10   10   14   20   25   37   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     E   147_B     E   147_B      9   25   36      7   10   15   20   21   29   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     A   148_B     A   148_B      9   25   36      5    8   17   20   21   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     L   149_B     L   149_B     13   25   36      5    6   10   20   21   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     W   150_B     W   150_B     16   25   36      5   13   17   20   21   24   38   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     K   151_B     K   151_B     16   25   36      4   13   17   20   21   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     P   152_B     P   152_B     16   25   36      4   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     T   153_B     T   153_B     16   25   36      6   13   17   20   21   29   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     L   154_B     L   154_B     16   25   36      6   13   17   20   26   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     D   155_B     D   155_B     16   25   36      6   12   16   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     Q   156_B     Q   156_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     L   157_B     L   157_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     L   158_B     L   158_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     A   159_B     A   159_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     V   160_B     V   160_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     L   161_B     L   161_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     Q   162_B     Q   162_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     E   163_B     E   163_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     K   164_B     K   164_B     16   25   36      6   13   17   20   28   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     H   165_B     H   165_B     16   25   36      6   13   17   20   21   34   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     K   166_B     K   166_B     13   25   36      3    5   10   14   21   30   39   41   42   43   46   47   49   52   54   56   57   60   63   65 
LCS_GDT     G   167_B     G   167_B      5   21   36      3    5    6   11   12   18   19   23   32   42   44   47   49   52   54   56   57   60   63   65 
LCS_GDT     K   168_B     K   168_B      5    9   36      3    5    6    7    8   10   13   18   23   26   27   30   34   42   54   56   57   60   63   65 
LCS_GDT     P   169_B     P   169_B      5    9   35      3    5    5    7    8    9   11   13   15   18   21   24   27   31   33   34   37   40   42   43 
LCS_GDT     A   170_B     A   170_B      5    9   34      2    5    6    7    8    9   11   13   15   18   21   22   26   29   31   34   37   40   42   43 
LCS_GDT     T   171_B     T   171_B      5    9   34      4    5    5    6    6    8   11   12   15   18   19   22   23   27   32   34   35   40   42   43 
LCS_GDT     T   172_B     T   172_B      5    9   34      4    5    6    7    8   10   11   15   17   21   23   25   28   31   33   34   37   42   60   63 
LCS_GDT     V   173_B     V   173_B      5    9   34      4    5    6    7    8   10   13   18   22   26   26   28   30   31   36   48   53   58   62   63 
LCS_GDT     T   174_B     T   174_B      5    9   37      4    5    5    6    8   10   16   18   23   27   28   29   30   32   33   36   38   42   57   63 
LCS_GDT     Y   175_B     Y   175_B      5    6   37      3    5    5    7    8   10   15   18   23   27   28   31   35   37   38   39   41   42   45   48 
LCS_GDT     E   176_B     E   176_B      4    5   37      3    5    5    6    8   10   14   16   18   27   28   32   35   37   38   40   41   42   45   48 
LCS_GDT     I   177_B     I   177_B      4   27   37      3    5    5    7    8   13   20   24   30   31   34   35   37   38   39   40   41   42   45   48 
LCS_GDT     S   178_B     S   178_B     25   29   37      7   12   21   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   43   48 
LCS_GDT     A   179_B     A   179_B     25   29   37      7   16   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   43   46 
LCS_GDT     E   180_B     E   180_B     25   29   37      7   11   22   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     T   181_B     T   181_B     25   29   37      7   18   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     L   182_B     L   182_B     25   29   37      9   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   43   48 
LCS_GDT     R   183_B     R   183_B     25   29   37      7   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     A   184_B     A   184_B     25   29   37      9   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     A   185_B     A   185_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   46   57 
LCS_GDT     V   186_B     V   186_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   55   72 
LCS_GDT     A   187_B     A   187_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   37   38   39   41   53   55   67   73 
LCS_GDT     A   188_B     A   188_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   40   49   55   59   64   67   71   75   78 
LCS_GDT     L   189_B     L   189_B     25   29   37     14   21   24   27   28   29   30   30   32   34   41   48   57   62   65   67   71   76   77   79 
LCS_GDT     A   190_B     A   190_B     25   29   37     14   21   24   27   28   29   30   33   37   42   47   53   59   62   65   68   71   76   77   79 
LCS_GDT     R   191_B     R   191_B     25   29   37     14   21   24   27   28   29   30   32   37   42   47   53   58   62   65   68   71   76   77   79 
LCS_GDT     A   192_B     A   192_B     25   29   37     14   21   24   27   28   29   30   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     A   193_B     A   193_B     25   29   37     14   21   24   27   28   29   30   36   40   45   50   54   59   62   65   68   71   76   77   79 
LCS_GDT     E   194_B     E   194_B     25   29   37     14   21   24   27   28   29   30   30   32   34   38   48   54   56   63   68   70   76   77   79 
LCS_GDT     A   195_B     A   195_B     25   29   37     14   21   24   27   28   29   30   30   32   34   37   44   54   59   64   68   70   74   76   79 
LCS_GDT     A   196_B     A   196_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   41   45   51   61   63   66   74   77 
LCS_GDT     L   197_B     L   197_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   38   45   51   54   57   59   64   68 
LCS_GDT     R   198_B     R   198_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   37   39   47   51   57   59   64   66 
LCS_GDT     R   199_B     R   199_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   37   39   47   51   57   59   64   66 
LCS_GDT     K   200_B     K   200_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     V   201_B     V   201_B     25   29   37     14   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     G   202_B     G   202_B     25   29   37     11   21   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     S   203_B     S   203_B     25   29   37      3   12   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     L   204_B     L   204_B     24   29   37      3    4    5    6   18   29   30   30   32   34   35   35   37   38   39   39   41   42   45   48 
LCS_GDT     E   205_B     E   205_B     24   29   37      4   17   24   27   28   29   30   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     S   206_B     S   206_B      4   29   37      3    4    4    6    9   21   27   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     S   207_B     S   207_B      3    6   37      3    3    4    6    8   13   17   26   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     G   208_B     G   208_B      3    6   37      3    4    4    6    9   15   22   30   32   34   35   35   37   38   39   40   41   42   45   48 
LCS_GDT     L   209_B     L   209_B      3    6   37      3    4    4    6    9   13   17   21   25   29   35   35   37   38   39   40   41   42   43   45 
LCS_GDT     E   210_B     E   210_B      3    6   37      3    4    4    7   11   17   20   30   32   34   35   35   37   38   39   40   41   42   43   45 
LCS_AVERAGE  LCS_A:  10.02  (   5.44    7.64   16.98 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     15     21     24     27     28     34     39     41     42     45     50     54     59     62     65     68     71     76     77     79 
GDT PERCENT_AT   7.25  10.14  11.59  13.04  13.53  16.43  18.84  19.81  20.29  21.74  24.15  26.09  28.50  29.95  31.40  32.85  34.30  36.71  37.20  38.16
GDT RMS_LOCAL    0.32   0.53   0.85   1.04   1.11   2.08   2.34   2.45   2.57   3.37   3.64   3.91   4.24   4.47   4.74   4.97   5.19   5.54   5.60   5.71
GDT RMS_ALL_AT  23.20  31.52  31.52  31.42  31.52  26.45  26.38  26.32  26.28  23.19  23.11  23.03  22.90  22.88  22.71  22.84  22.54  22.67  22.65  22.69

# Checking swapping
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  D    43_B      D    43_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    66_B      E    66_B
#   possible swapping detected:  Y    68_B      Y    68_B
#   possible swapping detected:  F    88_B      F    88_B
#   possible swapping detected:  E    90_B      E    90_B
#   possible swapping detected:  F    95_B      F    95_B
#   possible swapping detected:  E    98_B      E    98_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  D   104_B      D   104_B
#   possible swapping detected:  D   113_B      D   113_B
#   possible swapping detected:  E   129_B      E   129_B
#   possible swapping detected:  F   132_B      F   132_B
#   possible swapping detected:  D   139_B      D   139_B
#   possible swapping detected:  E   141_B      E   141_B
#   possible swapping detected:  D   155_B      D   155_B
#   possible swapping detected:  E   180_B      E   180_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     4_B      P     4_B    18.084     0    0.622   0.599    18.383    0.000    0.000
LGA    D     5_B      D     5_B    13.309     3    0.104   0.123    14.629    0.000    0.000
LGA    F     6_B      F     6_B    11.381     0    0.597   1.285    19.268    0.119    0.043
LGA    T     7_B      T     7_B     9.924     0    0.122   0.903    11.285    0.119    0.204
LGA    G     8_B      G     8_B    10.591     0    0.338   0.338    11.469    0.000    0.000
LGA    A     9_B      A     9_B    14.143     0    0.035   0.032    16.032    0.000    0.000
LGA    R    10_B      R    10_B     9.222     6    0.037   0.039    10.563    5.357    2.381
LGA    E    11_B      E    11_B     5.620     0    0.050   1.482     8.187   13.929   13.228
LGA    R    12_B      R    12_B    12.007     0    0.082   1.602    22.167    0.119    0.043
LGA    F    13_B      F    13_B    12.359     0    0.042   1.620    20.392    0.000    0.000
LGA    L    14_B      L    14_B     5.703     3    0.102   0.099     7.767   21.548   16.190
LGA    A    15_B      A    15_B     7.259     0    0.127   0.128     9.231    7.857    6.571
LGA    G    16_B      G    16_B    12.033     0    0.103   0.103    16.509    0.000    0.000
LGA    D    17_B      D    17_B    17.359     0    0.351   1.338    20.615    0.000    0.000
LGA    V    18_B      V    18_B    19.984     0    0.234   0.890    21.717    0.000    0.000
LGA    T    19_B      T    19_B    22.169     0    0.627   1.122    24.691    0.000    0.000
LGA    I    20_B      I    20_B    21.537     0    0.555   0.759    24.525    0.000    0.000
LGA    V    21_B      V    21_B    22.849     0    0.240   0.846    25.863    0.000    0.000
LGA    L    22_B      L    22_B    26.418     0    0.249   1.323    30.680    0.000    0.000
LGA    L    23_B      L    23_B    30.655     0    0.225   0.264    34.339    0.000    0.000
LGA    I    24_B      I    24_B    31.706     0    0.021   0.534    35.831    0.000    0.000
LGA    A    25_B      A    25_B    35.220     0    0.526   0.564    36.343    0.000    0.000
LGA    E    26_B      E    26_B    38.054     0    0.047   1.110    40.842    0.000    0.000
LGA    S    27_B      S    27_B    41.467     0    0.605   0.784    42.966    0.000    0.000
LGA    H    28_B      H    28_B    45.359     0    0.523   1.203    49.228    0.000    0.000
LGA    D    29_B      D    29_B    46.999     0    0.543   0.801    49.713    0.000    0.000
LGA    A    30_B      A    30_B    45.392     0    0.107   0.129    45.392    0.000    0.000
LGA    P    31_B      P    31_B    44.267     0    0.115   0.639    48.372    0.000    0.000
LGA    Y    32_B      Y    32_B    38.551     0    0.047   1.402    40.464    0.000    0.000
LGA    R    33_B      R    33_B    40.639     0    0.312   1.060    41.897    0.000    0.000
LGA    L    34_B      L    34_B    41.822     0    0.593   1.388    43.039    0.000    0.000
LGA    A    35_B      A    35_B    47.390     0    0.059   0.057    49.101    0.000    0.000
LGA    N    36_B      N    36_B    50.147     3    0.089   0.103    53.105    0.000    0.000
LGA    P    37_B      P    37_B    44.331     0    0.418   0.749    46.115    0.000    0.000
LGA    E    38_B      E    38_B    48.413     4    0.209   0.205    50.443    0.000    0.000
LGA    D    39_B      D    39_B    48.943     0    0.402   1.212    51.306    0.000    0.000
LGA    P    40_B      P    40_B    48.129     0    0.248   0.235    48.351    0.000    0.000
LGA    E    41_B      E    41_B    47.733     0    0.068   0.631    48.207    0.000    0.000
LGA    A    42_B      A    42_B    47.298     0    0.061   0.061    47.785    0.000    0.000
LGA    D    43_B      D    43_B    48.680     0    0.245   1.475    50.334    0.000    0.000
LGA    L    44_B      L    44_B    46.867     0    0.178   1.129    49.462    0.000    0.000
LGA    S    45_B      S    45_B    51.494     0    0.045   0.151    52.729    0.000    0.000
LGA    D    46_B      D    46_B    51.294     0    0.037   1.188    56.583    0.000    0.000
LGA    E    47_B      E    47_B    48.568     0    0.059   0.932    51.466    0.000    0.000
LGA    Q    48_B      Q    48_B    43.700     0    0.033   0.264    48.740    0.000    0.000
LGA    L    49_B      L    49_B    41.536     0    0.039   1.058    45.023    0.000    0.000
LGA    E    50_B      E    50_B    41.612     4    0.085   0.077    43.912    0.000    0.000
LGA    R    51_B      R    51_B    37.127     0    0.030   0.801    45.524    0.000    0.000
LGA    A    52_B      A    52_B    32.820     0    0.031   0.035    35.034    0.000    0.000
LGA    L    53_B      L    53_B    33.602     0    0.622   0.890    38.175    0.000    0.000
LGA    A    54_B      A    54_B    33.871     0    0.063   0.062    33.871    0.000    0.000
LGA    A    55_B      A    55_B    32.525     0    0.614   0.607    33.026    0.000    0.000
LGA    Y    56_B      Y    56_B    31.913     0    0.069   1.070    36.844    0.000    0.000
LGA    L    57_B      L    57_B    31.216     0    0.041   1.338    36.612    0.000    0.000
LGA    T    58_B      T    58_B    25.739     0    0.104   1.234    28.230    0.000    0.000
LGA    L    59_B      L    59_B    22.236     0    0.053   0.956    24.077    0.000    0.000
LGA    V    60_B      V    60_B    22.888     0    0.239   0.245    27.197    0.000    0.000
LGA    E    61_B      E    61_B    20.782     0    0.349   0.957    26.712    0.000    0.000
LGA    T    62_B      T    62_B    14.059     0    0.061   0.196    16.592    0.000    0.000
LGA    L    63_B      L    63_B     9.731     0    0.089   1.017    11.851    0.238    1.667
LGA    F    64_B      F    64_B    15.247     0    0.526   0.956    17.508    0.000    0.000
LGA    P    65_B      P    65_B    16.400     0    0.032   0.607    17.465    0.000    0.000
LGA    E    66_B      E    66_B    15.967     0    0.079   1.005    17.631    0.000    0.000
LGA    L    67_B      L    67_B    17.290     0    0.062   1.332    19.399    0.000    0.000
LGA    Y    68_B      Y    68_B    19.691     0    0.052   1.299    25.277    0.000    0.000
LGA    A    69_B      A    69_B    20.258     0    0.054   0.054    21.504    0.000    0.000
LGA    E    70_B      E    70_B    20.287     0    0.040   0.978    21.910    0.000    0.000
LGA    M    71_B      M    71_B    21.977     0    0.039   0.803    23.717    0.000    0.000
LGA    K    72_B      K    72_B    23.586     0    0.030   0.385    25.038    0.000    0.000
LGA    A    73_B      A    73_B    24.114     0    0.055   0.066    25.393    0.000    0.000
LGA    A    74_B      A    74_B    24.723     0    0.045   0.046    26.332    0.000    0.000
LGA    L    75_B      L    75_B    26.356     0    0.068   0.263    28.021    0.000    0.000
LGA    A    76_B      A    76_B    28.090     0    0.049   0.047    29.623    0.000    0.000
LGA    A    77_B      A    77_B    28.466     0    0.067   0.067    29.767    0.000    0.000
LGA    A    78_B      A    78_B    28.970     0    0.409   0.464    30.784    0.000    0.000
LGA    K    79_B      K    79_B    32.519     0    0.147   1.368    35.822    0.000    0.000
LGA    T    80_B      T    80_B    31.114     0    0.048   0.839    31.602    0.000    0.000
LGA    P    81_B      P    81_B    28.051     0    0.492   0.630    31.136    0.000    0.000
LGA    E    82_B      E    82_B    28.980     4    0.638   0.625    30.701    0.000    0.000
LGA    E    83_B      E    83_B    34.130     4    0.577   0.574    35.988    0.000    0.000
LGA    K    84_B      K    84_B    32.910     0    0.057   0.411    35.930    0.000    0.000
LGA    I    85_B      I    85_B    31.926     0    0.029   1.071    34.166    0.000    0.000
LGA    A    86_B      A    86_B    30.630     0    0.069   0.075    31.691    0.000    0.000
LGA    V    87_B      V    87_B    28.796     0    0.051   0.078    30.911    0.000    0.000
LGA    F    88_B      F    88_B    26.362     0    0.099   1.412    27.599    0.000    0.000
LGA    R    89_B      R    89_B    25.588     0    0.087   0.784    32.578    0.000    0.000
LGA    E    90_B      E    90_B    24.050     0    0.506   1.037    26.301    0.000    0.000
LGA    Y    91_B      Y    91_B    22.066     0    0.091   1.203    32.773    0.000    0.000
LGA    N    92_B      N    92_B    20.422     0    0.059   0.825    21.579    0.000    0.000
LGA    A    93_B      A    93_B    18.117     0    0.131   0.127    19.442    0.000    0.000
LGA    R    94_B      R    94_B    16.187     0    0.094   1.124    23.547    0.000    0.000
LGA    F    95_B      F    95_B    14.254     0    0.049   1.395    18.785    0.000    0.000
LGA    L    96_B      L    96_B    13.077     0    0.039   0.423    16.631    0.000    0.000
LGA    A    97_B      A    97_B    10.910     0    0.590   0.597    12.330    0.476    0.381
LGA    E    98_B      E    98_B     6.815     0    0.608   1.094    10.178   23.095   12.910
LGA    F    99_B      F    99_B     2.281     0    0.604   1.290     7.709   59.167   41.558
LGA    D   100_B      D   100_B     1.998     0    0.067   0.573     2.221   66.786   71.964
LGA    A   101_B      A   101_B     2.656     0    0.093   0.105     2.882   57.143   57.143
LGA    L   102_B      L   102_B     2.807     0    0.067   1.214     4.708   57.143   52.202
LGA    I   103_B      I   103_B     2.476     0    0.094   0.899     4.015   62.857   55.833
LGA    D   104_B      D   104_B     2.489     0    0.034   0.396     2.933   64.762   60.952
LGA    Q   105_B      Q   105_B     2.279     0    0.072   0.581     3.962   64.762   59.841
LGA    A   106_B      A   106_B     2.215     0    0.059   0.068     2.294   64.762   64.762
LGA    F   107_B      F   107_B     2.756     0    0.133   1.661     9.214   60.952   33.853
LGA    A   108_B      A   108_B     2.254     0    0.054   0.053     2.306   64.762   64.762
LGA    R   109_B      R   109_B     2.039     0    0.052   0.937     2.498   64.762   67.749
LGA    L   110_B      L   110_B     2.236     3    0.053   0.052     2.336   64.762   40.476
LGA    K   111_B      K   111_B     2.668     2    0.326   0.446     5.792   42.381   34.233
LGA    A   112_B      A   112_B     9.551     0    0.606   0.580    12.312    3.452    3.048
LGA    D   113_B      D   113_B    13.237     0    0.412   0.807    15.692    0.000    0.000
LGA    S   114_B      S   114_B    15.545     0    0.180   0.290    18.886    0.000    0.000
LGA    L   115_B      L   115_B    17.412     0    0.668   1.566    19.864    0.000    0.000
LGA    T   116_B      T   116_B    23.898     0    0.027   0.058    28.041    0.000    0.000
LGA    L   117_B      L   117_B    26.103     0    0.073   1.390    29.802    0.000    0.000
LGA    K   118_B      K   118_B    29.198     0    0.162   0.842    30.931    0.000    0.000
LGA    I   119_B      I   119_B    30.679     0    0.325   1.221    34.131    0.000    0.000
LGA    H   120_B      H   120_B    34.251     0    0.389   1.153    35.724    0.000    0.000
LGA    L   121_B      L   121_B    36.774     0    0.166   1.471    39.118    0.000    0.000
LGA    S   122_B      S   122_B    36.755     0    0.688   0.607    37.831    0.000    0.000
LGA    Q   123_B      Q   123_B    40.067     4    0.614   0.597    41.654    0.000    0.000
LGA    G   124_B      G   124_B    37.699     0    0.131   0.131    38.171    0.000    0.000
LGA    K   125_B      K   125_B    34.434     4    0.179   0.228    35.502    0.000    0.000
LGA    G   126_B      G   126_B    28.828     0    0.669   0.669    30.981    0.000    0.000
LGA    S   127_B      S   127_B    27.799     0    0.039   0.101    29.729    0.000    0.000
LGA    Y   128_B      Y   128_B    24.392     0    0.664   0.505    29.479    0.000    0.000
LGA    E   129_B      E   129_B    23.323     0    0.060   1.053    28.750    0.000    0.000
LGA    I   130_B      I   130_B    17.117     0    0.267   1.175    19.724    0.000    0.000
LGA    I   131_B      I   131_B    14.717     0    0.200   0.302    19.040    0.000    0.000
LGA    F   132_B      F   132_B    12.137     0    0.437   0.614    14.223    0.000    0.000
LGA    P   133_B      P   133_B    12.194     0    0.503   0.921    13.997    0.000    0.000
LGA    P   134_B      P   134_B    11.711     0    0.379   0.599    12.689    0.000    0.000
LGA    E   135_B      E   135_B     8.700     4    0.636   0.613     9.008    9.762    4.656
LGA    V   136_B      V   136_B     6.226     0    0.084   0.902     6.992   18.333   19.116
LGA    Q   137_B      Q   137_B     6.198     4    0.436   0.421     7.770   13.690    7.196
LGA    A   138_B      A   138_B     6.260     0    0.595   0.557     6.819   21.786   20.095
LGA    D   139_B      D   139_B     3.201     0    0.173   0.389     7.104   55.476   39.226
LGA    P   140_B      P   140_B     2.962     0    0.640   0.660     6.181   61.190   44.898
LGA    E   141_B      E   141_B     1.059     0    0.078   0.913     4.841   81.548   67.090
LGA    R   142_B      R   142_B     2.307     0    0.088   1.104    10.415   67.024   37.100
LGA    A   143_B      A   143_B     2.358     0    0.070   0.083     2.926   70.952   68.190
LGA    A   144_B      A   144_B     1.458     0    0.020   0.025     3.327   72.143   70.667
LGA    A   145_B      A   145_B     3.794     0    0.077   0.077     4.742   42.262   41.238
LGA    I   146_B      I   146_B     3.948     0    0.334   0.429     5.038   46.667   40.595
LGA    E   147_B      E   147_B     3.511     0    0.081   1.012     6.265   48.452   36.032
LGA    A   148_B      A   148_B     2.597     0    0.047   0.049     2.843   57.143   57.143
LGA    L   149_B      L   149_B     2.831     0    0.059   1.344     4.927   51.905   51.369
LGA    W   150_B      W   150_B     3.887     0    0.114   0.159     8.227   45.000   24.864
LGA    K   151_B      K   151_B     2.595     4    0.029   0.037     3.073   59.167   33.492
LGA    P   152_B      P   152_B     1.824     0    0.093   0.578     3.090   66.786   64.966
LGA    T   153_B      T   153_B     3.017     0    0.097   1.131     5.497   57.262   51.020
LGA    L   154_B      L   154_B     2.420     0    0.066   0.344     2.685   64.881   61.964
LGA    D   155_B      D   155_B     1.926     0    0.041   0.140     2.768   72.976   66.964
LGA    Q   156_B      Q   156_B     1.421     0    0.015   1.068     5.468   81.548   64.074
LGA    L   157_B      L   157_B     1.086     0    0.076   0.684     3.354   81.429   75.357
LGA    L   158_B      L   158_B     1.102     0    0.089   0.900     2.972   85.952   77.500
LGA    A   159_B      A   159_B     0.966     0    0.054   0.051     1.525   90.476   86.952
LGA    V   160_B      V   160_B     1.419     0    0.068   0.199     2.470   81.429   74.286
LGA    L   161_B      L   161_B     1.479     0    0.082   0.280     3.497   81.429   68.452
LGA    Q   162_B      Q   162_B     1.608     0    0.041   0.676     5.003   75.000   59.841
LGA    E   163_B      E   163_B     1.537     3    0.129   0.611     3.051   83.810   50.899
LGA    K   164_B      K   164_B     0.971     4    0.081   0.083     2.155   79.643   43.492
LGA    H   165_B      H   165_B     2.783     0    0.415   0.468     4.553   54.286   47.238
LGA    K   166_B      K   166_B     3.565     2    0.644   0.678     6.873   32.024   24.392
LGA    G   167_B      G   167_B     9.409     0    0.081   0.081    13.079    3.690    3.690
LGA    K   168_B      K   168_B    13.320     0    0.068   0.913    19.016    0.000    0.000
LGA    P   169_B      P   169_B    17.947     0    0.051   0.657    20.829    0.000    0.000
LGA    A   170_B      A   170_B    17.395     0    0.109   0.142    21.159    0.000    0.000
LGA    T   171_B      T   171_B    19.387     0    0.676   0.519    22.369    0.000    0.000
LGA    T   172_B      T   172_B    18.452     0    0.110   0.280    21.519    0.000    0.000
LGA    V   173_B      V   173_B    17.095     0    0.049   0.148    17.770    0.000    0.000
LGA    T   174_B      T   174_B    19.634     0    0.467   0.894    22.301    0.000    0.000
LGA    Y   175_B      Y   175_B    22.037     0    0.456   0.527    23.643    0.000    0.000
LGA    E   176_B      E   176_B    26.368     0    0.643   0.743    30.670    0.000    0.000
LGA    I   177_B      I   177_B    25.796     0    0.584   0.572    26.673    0.000    0.000
LGA    S   178_B      S   178_B    28.275     0    0.623   0.571    30.549    0.000    0.000
LGA    A   179_B      A   179_B    29.061     0    0.053   0.052    30.971    0.000    0.000
LGA    E   180_B      E   180_B    29.107     0    0.046   1.292    30.350    0.000    0.000
LGA    T   181_B      T   181_B    25.195     0    0.045   1.154    26.657    0.000    0.000
LGA    L   182_B      L   182_B    22.753     0    0.025   0.368    23.885    0.000    0.000
LGA    R   183_B      R   183_B    25.191     0    0.108   1.706    28.687    0.000    0.000
LGA    A   184_B      A   184_B    24.634     0    0.070   0.064    24.935    0.000    0.000
LGA    A   185_B      A   185_B    19.311     0    0.053   0.048    21.274    0.000    0.000
LGA    V   186_B      V   186_B    20.430     0    0.019   0.109    21.780    0.000    0.000
LGA    A   187_B      A   187_B    24.881     0    0.072   0.070    26.644    0.000    0.000
LGA    A   188_B      A   188_B    22.049     0    0.021   0.020    22.754    0.000    0.000
LGA    L   189_B      L   189_B    18.933     0    0.084   0.691    20.873    0.000    0.000
LGA    A   190_B      A   190_B    23.336     0    0.045   0.047    25.712    0.000    0.000
LGA    R   191_B      R   191_B    27.234     0    0.035   1.366    29.657    0.000    0.000
LGA    A   192_B      A   192_B    24.477     0    0.034   0.033    25.641    0.000    0.000
LGA    A   193_B      A   193_B    24.035     0    0.054   0.057    26.949    0.000    0.000
LGA    E   194_B      E   194_B    29.888     0    0.066   0.807    35.344    0.000    0.000
LGA    A   195_B      A   195_B    31.363     0    0.026   0.024    32.914    0.000    0.000
LGA    A   196_B      A   196_B    29.272     0    0.008   0.009    32.063    0.000    0.000
LGA    L   197_B      L   197_B    31.864     0    0.027   0.299    35.681    0.000    0.000
LGA    R   198_B      R   198_B    37.267     0    0.041   0.988    40.393    0.000    0.000
LGA    R   199_B      R   199_B    37.924     0    0.054   1.478    40.242    0.000    0.000
LGA    K   200_B      K   200_B    37.456     0    0.305   0.975    39.628    0.000    0.000
LGA    V   201_B      V   201_B    41.339     0    0.075   1.268    44.857    0.000    0.000
LGA    G   202_B      G   202_B    44.935     0    0.210   0.210    46.668    0.000    0.000
LGA    S   203_B      S   203_B    44.352     1    0.258   0.363    44.700    0.000    0.000
LGA    L   204_B      L   204_B    45.714     3    0.245   0.239    47.304    0.000    0.000
LGA    E   205_B      E   205_B    40.332     4    0.558   0.552    42.218    0.000    0.000
LGA    S   206_B      S   206_B    37.226     1    0.277   0.284    38.122    0.000    0.000
LGA    S   207_B      S   207_B    36.589     0    0.566   0.556    40.356    0.000    0.000
LGA    G   208_B      G   208_B    33.872     0    0.510   0.510    35.364    0.000    0.000
LGA    L   209_B      L   209_B    31.511     3    0.196   0.189    32.819    0.000    0.000
LGA    E   210_B      E   210_B    30.727     4    0.486   0.454    31.594    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1517   1517  100.00               207
SUMMARY(RMSD_GDC):    20.949         20.892                 20.913           13.461   11.334

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  214  207    4.0     41    2.45    18.961    16.172     1.610

LGA_LOCAL      RMSD:   2.447  Number of atoms:   41  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.323  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  20.949  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.395123 * X  +   0.416045 * Y  +  -0.819014 * Z  +   6.203451
  Y_new =   0.918623 * X  +   0.182104 * Y  +  -0.350672 * Z  +  -2.221304
  Z_new =   0.003250 * X  +  -0.890923 * Y  +  -0.454142 * Z  +  48.671703 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.977000 -0.003250 -2.042208   [DEG:  113.2738   -0.1862 -117.0099 ]
ZXZ: -1.166249  2.042205  3.137945   [DEG:  -66.8212  117.0098  179.7910 ]
 
# END of job
